Vitas-M small molecule compound

methyl 3-{[(4-benzylpiperazin-1-yl)acetyl]amino}-1,4-dimethyl-1H-indole-2-carboxylate

Catalog ID
STL348676
SMILES COC(=O)c1n(C)c2c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)c(C)ccc2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C25H30N4O3 MW 434.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O3/c1-18-8-7-11-20-22(18)23(24(27(20)2)25(31)32-3)26-21(30)17-29-14-12-28(13-15-29)16-19-9-5-4-6-10-19/h4-11H,12-17H2,1-3H3,(H,26,30)
InChIKey
NWYQANJEXPIRJN-UHFFFAOYSA-N
Synonyms
850192-92-6
850192926
CC1=C2C(=CC=C1)N(C(=C2NC(=O)CN3CCN(CC3)CC4=CC=CC=C4)C(=O)OC)C
InChI=1SC25H30N4O3c11887112022(18)23(24(27(20)2)25(31)323)2621(30)1729141228(131529)161995461019h411H1217H213H3(H2630)
methyl3(((4benzylpiperazin1yl)acetyl)amino)14dimethyl1Hindole2carboxylate
METHYL3((2(4BENZYLPIPERAZIN1YL)ACETYL)AMINO)14DIMETHYLINDOLE2CARBOXYLATE
methyl3(2(4benzylpiperazin1yl)acetamido)14dimethyl1Hindole2carboxylate
MFCD05690814
ZINC000020478723
ZINC20478723

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.